4-[2-(3,4-Dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-6-carboxylic acid
| Internal ID | 2d44ee83-efe3-46cc-85a3-eb50c7a7df6f |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 4-[2-(3,4-dihydroxyphenyl)ethenyl]-6-oxopyran-2-carboxylic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC2=CC(=O)OC(=C2)C(=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC2=CC(=O)OC(=C2)C(=O)O)O)O |
| InChI | InChI=1S/C14H10O6/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(14(18)19)20-13(17)7-9/h1-7,15-16H,(H,18,19) |
| InChI Key | ZUIOVKAJONGJHT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H10O6 |
| Molecular Weight | 274.22 g/mol |
| Exact Mass | 274.04773803 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.60 |
| 4-[2-(3,4-Dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-6-carboxylic acid |
![2D Structure of 4-[2-(3,4-Dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-34-dihydroxyphenylethenyl-2-oxo-2h-pyran-6-carboxylic-acid.jpg "2D Structure of 4-[2-(3,4-Dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-6-carboxylic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.44% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.52% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.14% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.72% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.67% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.41% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.18% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.07% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.91% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.80% | 90.71% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 81.57% | 83.65% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.25% | 80.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.66% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Dumortiera hirsuta |
| PubChem | 71446749 |
| LOTUS | LTS0102871 |
| wikiData | Q82850009 |